CID 113832

5zc2qc9gnw

Structural Information

Molecular Formula
C20H27NO2S
SMILES
CCS(=O)(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H27NO2S/c1-5-24(22,23)20(16-17(2)21(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey
NLPGJSPLDNDKKZ-UHFFFAOYSA-N
Compound name
4-ethylsulfonyl-N,N-dimethyl-4,4-diphenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

345.17624 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18352 183.0
[M+Na]+ 368.16546 187.3
[M-H]- 344.16896 190.2
[M+NH4]+ 363.21006 196.6
[M+K]+ 384.13940 183.8
[M+H-H2O]+ 328.17350 174.8
[M+HCOO]- 390.17444 198.4
[M+CH3COO]- 404.19009 215.9
[M+Na-2H]- 366.15091 185.7
[M]+ 345.17569 186.8
[M]- 345.17679 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe